# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08477214
_cell_length_b   14.91268876
_cell_length_c   48.51429645
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti72
_cell_volume   2955.24523934
_cell_formula_units_Z   72
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ti  Ti1  1  0.507877  0.606911  0.335349  1
  Ti  Ti2  1  0.507877  0.376922  0.291310  1
  Ti  Ti3  1  0.507877  0.994097  0.311526  1
  Ti  Ti4  1  1.007877  0.494097  0.311526  1
  Ti  Ti5  1  1.007877  0.106911  0.335349  1
  Ti  Ti6  1  1.007877  0.876922  0.291310  1
  Ti  Ti7  1  1.007877  0.686609  0.301140  1
  Ti  Ti8  1  1.007877  0.300376  0.324567  1
  Ti  Ti9  1  1.007877  0.915628  0.348565  1
  Ti  Ti10  1  0.507877  0.415628  0.348565  1
  Ti  Ti11  1  0.507877  0.186609  0.301140  1
  Ti  Ti12  1  0.507877  0.800376  0.324567  1
  Ti  Ti13  1  0.507877  0.452766  0.408083  1
  Ti  Ti14  1  0.507877  0.222653  0.359912  1
  Ti  Ti15  1  0.507877  0.837711  0.384142  1
  Ti  Ti16  1  1.007877  0.337711  0.384142  1
  Ti  Ti17  1  1.007877  0.952766  0.408083  1
  Ti  Ti18  1  1.007877  0.722653  0.359912  1
  Ti  Ti19  1  1.007877  0.530455  0.371620  1
  Ti  Ti20  1  1.007877  0.144926  0.395661  1
  Ti  Ti21  1  1.007877  0.759837  0.419965  1
  Ti  Ti22  1  0.507877  0.259837  0.419965  1
  Ti  Ti23  1  0.507877  0.030455  0.371620  1
  Ti  Ti24  1  0.507877  0.644926  0.395661  1
  Ti  Ti25  1  0.507877  0.296888  0.480112  1
  Ti  Ti26  1  0.507877  0.067391  0.431880  1
  Ti  Ti27  1  0.507877  0.682062  0.455948  1
  Ti  Ti28  1  1.007877  0.182062  0.455948  1
  Ti  Ti29  1  1.007877  0.796888  0.480112  1
  Ti  Ti30  1  1.007877  0.567391  0.431880  1
  Ti  Ti31  1  1.007877  0.374750  0.444114  1
  Ti  Ti32  1  1.007877  0.989562  0.468086  1
  Ti  Ti33  1  1.007877  0.604297  0.492042  1
  Ti  Ti34  1  0.507877  0.104297  0.492042  1
  Ti  Ti35  1  0.507877  0.874750  0.444114  1
  Ti  Ti36  1  0.507877  0.489562  0.468086  1
  Ti  Ti37  1  0.507877  0.141234  0.552126  1
  Ti  Ti38  1  0.507877  0.911687  0.504198  1
  Ti  Ti39  1  0.507877  0.526423  0.528154  1
  Ti  Ti40  1  1.007877  0.026423  0.528154  1
  Ti  Ti41  1  1.007877  0.641234  0.552126  1
  Ti  Ti42  1  1.007877  0.411687  0.504198  1
  Ti  Ti43  1  1.007877  0.219096  0.516128  1
  Ti  Ti44  1  1.007877  0.833923  0.540292  1
  Ti  Ti45  1  1.007877  0.448594  0.564361  1
  Ti  Ti46  1  0.507877  0.948594  0.564361  1
  Ti  Ti47  1  0.507877  0.719096  0.516128  1
  Ti  Ti48  1  0.507877  0.333923  0.540292  1
  Ti  Ti49  1  0.507877  0.985529  0.624620  1
  Ti  Ti50  1  0.507877  0.756148  0.576275  1
  Ti  Ti51  1  0.507877  0.371058  0.600579  1
  Ti  Ti52  1  1.007877  0.871058  0.600579  1
  Ti  Ti53  1  1.007877  0.485529  0.624620  1
  Ti  Ti54  1  1.007877  0.256148  0.576275  1
  Ti  Ti55  1  1.007877  0.063218  0.588157  1
  Ti  Ti56  1  1.007877  0.678273  0.612099  1
  Ti  Ti57  1  1.007877  0.293332  0.636329  1
  Ti  Ti58  1  0.507877  0.793332  0.636329  1
  Ti  Ti59  1  0.507877  0.563218  0.588157  1
  Ti  Ti60  1  0.507877  0.178273  0.612099  1
  Ti  Ti61  1  0.507877  0.829376  0.695100  1
  Ti  Ti62  1  0.507877  0.600357  0.647676  1
  Ti  Ti63  1  0.507877  0.215608  0.671673  1
  Ti  Ti64  1  1.007877  0.715608  0.671673  1
  Ti  Ti65  1  1.007877  0.329376  0.695100  1
  Ti  Ti66  1  1.007877  0.100357  0.647676  1
  Ti  Ti67  1  1.007877  0.909073  0.660891  1
  Ti  Ti68  1  1.007877  0.521887  0.684714  1
  Ti  Ti69  1  1.007877  0.139062  0.704930  1
  Ti  Ti70  1  0.507877  0.639062  0.704930  1
  Ti  Ti71  1  0.507877  0.409073  0.660891  1
  Ti  Ti72  1  0.507877  0.021887  0.684714  1
